3-methyl-N-[3-oxidanylidene-1-phenyl-2-(phenylsulfonyl)butyl]butanamide

Systemtic Name: 3-methyl-N-[3-oxidanylidene-1-phenyl-2-(phenylsulfonyl)butyl]butanamide Openeye Name: N-[2-(benzenesulfonyl)-3-oxo-1-phenyl-butyl]-3-methyl-butanamide CAS Name: N-[2-(benzenesulfonyl)-3-oxo-1-phenylbutyl]-3-methylbutanamide IUPAC Name: N-[2-(benzenesulfonyl)-3-oxo-1-phenylbutyl]-3-methylbutanamide Traditional Name: N-(2-besyl-3-keto-1-phenyl-butyl)-3-methyl-butyramide Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C1=CC=CC=C1)C(C(=O)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC(C1=CC=CC=C1)C(C(=O)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-15(2)14-19(24)22-20(17-10-6-4-7-11-17)21(16(3)23)27(25,26)18-12-8-5-9-13-18/h4-13,15,20-21H,14H2,1-3H3,(H,22,24)